SCHEMBL7804096

SCHEMBL7804096

CC1(C)CC(C)(c2ccc(O)c(Br)c2)Oc2c(Br)cc(Br)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
DHFR P00374 4/20 0.34
TYMS P04818 1/20 0.34
FTO Q9C0B1 1/20 0.33
ALOX12 P18054 1/20 0.31
HTR6 P50406 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6905063 0.85 CYP3A4 (0.39) ALOX15DHFRTYMSFTOALOX12
SCHEMBL6914734 0.82 FTO (0.41) ALOX15DHFRTYMSFTOHTR6
SCHEMBL6913273 0.80 CYP3A4 (0.41) ALOX15FTOALOX12
SCHEMBL7751772 0.78 DHFR (0.40) ALOX15DHFRTYMSFTOHTR6
SCHEMBL6911177 0.68 AKR1C1 (0.41) DHFRTYMSFTOOPRM1OPRD1
SCHEMBL11144426 0.68 ALOX15 (0.36) ALOX15DHFRTYMSALOX12HTR6
SCHEMBL7740691 0.68 MEN1 (0.47) FTOESR1ESR2
SCHEMBL4518031 0.67 CYP26A1 (0.36) ALOX15FTOALOX12
SCHEMBL6911938 0.67 CYP3A4 (0.39) ALOX15DHFRTYMSALOX12
SCHEMBL6915372 0.67 BACE1 (0.41) ALOX15DHFRTYMSHTR6OPRM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197917-B1 Method for manufacturing polycarbonate for optical use GENERAL ELECTRIC COMPANY 2001-03-06 US disclosed